1,4-Butanediol

1,4-Butanediol

SCHEMBL11042012

O=C(OC(=O)C(O)CO)C(O)CO.OCCCCO

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.43
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
CAMK2A Q9UQM7 1/20 0.32
ACHE P22303 5/20 0.31
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ethylene Glycol SCHEMBL3837465 0.92 OR51E2 (0.46) OR51E2
SCHEMBL93977 0.92 OR51E2 (0.50) OR51E2LMNA
SCHEMBL4985589 0.89 OR51E2 (0.48) OR51E2LMNA
Water SCHEMBL22418485 0.89 OR51E2 (0.55) OR51E2LMNA
SCHEMBL6249794 0.89 OR51E2 (0.48) OR51E2LMNA
Ethylene SCHEMBL15065634 0.86 OR51E2 (0.46) OR51E2
Monoethanolamine SCHEMBL1686803 0.85 OR51E2 (0.40) OR51E2
Propane SCHEMBL21814344 0.84 OR51E2 (0.43) OR51E2KDM4EDUSP3MEN1KMT2A
Alcohol SCHEMBL6238241 0.84 OR51E2 (0.43) OR51E2KDM4EDUSP3MEN1KMT2A
Glycerin SCHEMBL16751857 0.84 LMNA (0.47) OR51E2KDM4EDUSP3MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023097047-A2 SYSTEMS AND METHODS FOR A SMART BANDAGE FOR MONITORING AND TREATING WOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-06-01 WO disclosed
US-20230158283-A1 SYSTEMS AND METHODS FOR A SMART BANDAGE FOR MONITORING AND TREATING WOUNDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-05-25 US disclosed
EP-0127327-A1 Method of determining nucleotide sequences in cells and of isolating nucleic acids from cells NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-12-05 EP disclosed
WO-1984004332-A1 METHOD OF DETERMINING NUCLEOTIDE SEQUENCES IN CELLS AND OF ISOLATING NUCLEIC ACIDS FROM CELLS NAT RES DEV (GB) 1984-11-08 WO disclosed